General Information of the Compound
| Compound ID |
CP0896820
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| Compound Name |
N-(3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-ylcarbamothioyl)benzamide dihydrochloride
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| Structure |
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| Formula |
C22H24Cl2N4OS
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| Molecular Weight |
463.434
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| Canonical SMILES |
CN1CC=C(c2c[nH]c3ccc(NC(=S)NC(=O)c4ccccc4)cc23)CC1.Cl.Cl
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| InChI |
InChI=1S/C22H22N4OS.2ClH/c1-26-11-9-15(10-12-26)19-14-23-20-8-7-17(13-18(19)20)24-22(28)25-21(27)16-5-3-2-4-6-16;;/h2-9,13-14,23H,10-12H2,1H3,(H2,24,25,27,28);2*1H
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| InChIKey |
FGJMPZAJAYIHEI-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01406, Nitric oxide synthase 1
Protein ID: PT01856, Nitric oxide synthase 3